4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one

C11H10Cl2FNO — CID 168687983

IUPAC4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(Cl)CC2=O)c(Cl)cc1F
InChIInChI=1S/C11H10Cl2FNO/c1-6-2-10(8(13)4-9(6)14)15-5-7(12)3-11(15)16/h2,4,7H,3,5H2,1H3
InChIKeySAFRWTFMEUXDMT-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.13
Rot. Bonds1

About 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one

4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one (PubChem CID 168687983) has the molecular formula C11H10Cl2FNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
PubChem CID168687983
Molecular FormulaC11H10Cl2FNO
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(Cl)CC2=O)c(Cl)cc1F
InChIInChI=1S/C11H10Cl2FNO/c1-6-2-10(8(13)4-9(6)14)15-5-7(12)3-11(15)16/h2,4,7H,3,5H2,1H3
InChIKeySAFRWTFMEUXDMT-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
1-(2-chloro-4,5-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502070
4-chloro-1-(2,4-dibromo-3,5-dimethylphenyl)pyrrolidin-2-one
CID 168687962
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
1-(4-bromo-2-methoxy-5-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one (CID 168687983) is 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one is Cc1cc(N2CC(Cl)CC2=O)c(Cl)cc1F.
What is the InChIKey of 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is SAFRWTFMEUXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO/c1-6-2-10(8(13)4-9(6)14)15-5-7(12)3-11(15)16/h2,4,7H,3,5H2,1H3.
What are the key properties of 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one?
4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 262.11 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168687983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).